|
Refractive_Index:
|
1.500
|
|
Vapor_Pressure:
|
0.0±0.6 mmHg at 25°C
|
|
Flash_Point:
|
170.6±5.3 °C
|
|
LogP:
|
0.01
|
|
Bolling_Point:
|
304.2±15.0 °C at 760 mmHg
|
|
PSA:
|
32.86000
|
|
Molecular_Structure:
|
['1 . Molar refractive index 3105 ', '2 . Molar volume （m3/mol）973 ', '3 . Parachor （902K）2540 ', '4 . Surface tension 463 ', '5 . Dielectric constant 不可用 ', '6 偶极距（10 -24cm 3）不可用 ', '7 . Polarizability 1230']
|
|
Computational_Chemistry:
|
['1 . XlogP 01 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 1 ', '4 . Rotatable Bond Count 0 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 291 ', '7 . Heavy Atom Count 8 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 167 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '12 . Undefined Atom Stereocenter Count 0 ', '13 . Defined Bond Stereocenter Count 0 ', '14 . Undefined Bond Stereocenter Count 0 ', '15 . Covalently-Bonded Unit Count 1']
|
|
Melting_Point:
|
183-187 °C(lit.)
|
|
MF:
|
C6H7NO
|
|
Exact_Mass:
|
109.052765
|
|
FW:
|
109.126
|
|
Density:
|
1.1±0.1 g/cm3
|
|
More_Info:
|
['1 . Appearance Unknow。 ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）183-187 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,11mm）Unknow ', '7 . Refractive index(n 20/D) Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility Unknow']
|
